SCHEMBL22256296

SCHEMBL22256296

O=C(O)c1cc(O)c(N=Nc2cc(O)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c3ccc(S(=O)(=O)O)cc23)c(O)c1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 6/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ CYP2C9 P11712 4/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ THRB P10828 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ HSD17B10 Q99714 4/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MPL P40238 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22256359 0.94 PHLPP2 (0.43) PHLPP2PTPN11CYP2C9CYP1A2THRB
SCHEMBL22256316 0.94 PHLPP2 (0.43) PHLPP2PTPN11CYP2C9CYP1A2THRB
SCHEMBL22256416 0.94 PHLPP2 (0.43) PHLPP2PTPN11CYP2C9CYP1A2THRB
SCHEMBL22413422 0.88 THRB (0.45) PHLPP2CYP2C9CYP1A2THRBHSD17B10
SCHEMBL22256362 0.87 PHLPP2 (0.39) PHLPP2PTPN11CYP2C9CYP1A2THRB
SCHEMBL22256266 0.87 PHLPP2 (0.39) PHLPP2PTPN11CYP2C9CYP1A2THRB
SCHEMBL22256305 0.85 MEN1 (0.45) PHLPP2PTPN11CYP2C9CYP1A2THRB
SCHEMBL22256302 0.85 PHLPP2 (0.45) PHLPP2PTPN11CYP2C9CYP1A2THRB
SCHEMBL22411683 0.85 PHLPP2 (0.45) PHLPP2PTPN11CYP2C9CYP1A2THRB
SCHEMBL22413435 0.85 PHLPP2 (0.45) PHLPP2PTPN11CYP2C9CYP1A2THRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370921-B2 Reactive dye compound and preparation method and application thereof Shanghai Kehua dyestuff Industry Co., Ltd. (CN) 2022-06-28 — — US disclosed
US-10954392-B2 Reactive navy to black dye composition and dye product thereof ZHEJIANG KEYONG CHEMICAL CO., LTD. (CN) 2021-03-23 — — US disclosed
US-20200283634-A1 A REACTIVE NAVY TO BLACK DYE COMPOSITION AND DYE PRODUCT THEREOF Shanghai Kehua dyestuff Industry Co., Ltd. (CN) 2020-09-10 — — US disclosed
US-20200231819-A1 A REACTIVE DYE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF ZHEJIANG KEYONG CHEMICAL CO., LTD. (CN) 2020-07-23 — — US disclosed
Send feedback